2-oxa-7-azabicyclo[3.3.1]nonane

• ChemBase ID: 277721
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: N1CC2OCCC(C2)C1
• Canonical SMILES: N1CC2CCOC(C1)C2
• InChI: InChI=1S/C7H13NO/c1-2-9-7-3-6(1)4-8-5-7/h6-8H,1-5H2
• InChIKey: BEXFCPIBGOMHIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxa-7-azabicyclo[3.3.1]nonane
• IUPAC Traditional name: 2-oxa-7-azabicyclo[3.3.1]nonane
• Synonyms: 2-oxa-7-azabicyclo[3.3.1]nonane

Database IDs

• MDL Number: MFCD19686516
• PubChem SID: 164333631
• PubChem CID: 54594727

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.082267
• LogD (pH = 7.4): -2.163471
• Log P: 0.1171505
• Molar Refractivity: 35.6881 cm^3
• Polarizability: 14.382755 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.063

Product Information

• Purity: 95%